SCHEMBL1342873

SCHEMBL1342873

CCOC(=O)C(CCC1=CCCCC1)Oc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
POLB P06746 1/20 0.40
GRK2 P25098 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1343177 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRTP53
SCHEMBL1344418 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATSHRTP53
SCHEMBL12129944 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRTP53
SCHEMBL1340706 0.77 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATSHRALOX15
SCHEMBL31433085 0.76 LDHA (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1434442 0.76 PPARG (0.54) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL1343145 0.75 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2ATSHRTP53
SCHEMBL21991476 0.75 ALDH2 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL4358094 0.74 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATSHRALOX15
SCHEMBL1343113 0.74 PPARG (0.59) ALDH1A1MEN1KMT2ARAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063067-B2 Hexenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2011-11-22 US disclosed
US-7632846-B2 the use thereof for the treatment of dyslipidaemia, atherosclerosis and diabetes, pharmaceutical compositions comprising them, and processes for the preparation of these MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DE) 2009-12-15 US disclosed
US-20090286776-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF ZEILLER JEAN JACQUES 2009-11-19 US disclosed
US-20080194564-A1 Hexenoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
EP-1742902-B1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2007-09-26 EP disclosed
EP-1742902-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GmbH (DE) 2007-01-17 EP disclosed
WO-2005105724-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2005-11-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194564-A1 Hexenoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Applications Thereof GPR119, LIPA, ALOX5 ALDH1A1 692/4885MEN1 3720/4885KMT2A 4550/4885
US-20090286776-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF GPR119, LIPA, ALOX5 ALDH1A1 692/4885MEN1 3720/4885KMT2A 4550/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.